5JCX

Trypanosoma brucei PTR1 in complex with inhibitor NP-29

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Pteridine reductase	polymer	288	30685.8	4	UniProt (O76290) Pfam (PF13561)	Trypanosoma brucei brucei
2	E, J, N (A, B, D)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	3	Chemie (NAP)
3	F, K, O (A, B, D)	3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one	non-polymer		286.2	3	Chemie (CC6)
4	G, H, L, M, P (A, C, D)	ACETATE ION	non-polymer		59.0	5	Chemie (ACT)
5	I (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6	Q, R, S, T (A, B, C, D)	water	water		18.0	664	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 268 (UniProt: O76290)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	122743.1
Non-Polymers*	Number of molecules	12
	Total formula weight	3476.2
All*	Total formula weight	126219.4

*Water molecules are not included.